Hi Vincent, For some time I have been using hashizume.cif (in scripts/python/examples) to test the Python bindings. Some time ago, the test started to fail due to the text below which now appears which hashizume.cif is read:
user@ubuntu904desktop:~/Tools/openbabel/nightly/ob-build/test$ ../../ob-build/bin/obabel ../../openbabel/scripts/python/examples/hashizume.cif -osmi ============================== *** Open Babel Error in ExtractUnitCell CIF ERROR: missing a,b or c value - cannot interpret structure ! ============================== *** Open Babel Warning in ExtractSpacegroup CIF ERROR: missing spacegroup description: defaulting to P1... O=C(NC(=O)NCC)CCC(C)C 1-ethyl-3-(4-methylpentanoyl)urea Are these errors correct? I opened the file in Mercury and the entries have a,b and c values and a spacegroup of P-1. - Noel ------------------------------------------------------------------------------ Special Offer -- Download ArcSight Logger for FREE! Finally, a world-class log management solution at an even better price-free! And you'll get a free "Love Thy Logs" t-shirt when you download Logger. Secure your free ArcSight Logger TODAY! http://p.sf.net/sfu/arcsisghtdev2dev _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
